2-ethyl-2-methyl-1-[1-(trifluoromethyl)cyclobutyl]pentan-1-one

C13H21F3O — CID 129313850

IUPAC2-ethyl-2-methyl-1-[1-(trifluoromethyl)cyclobutyl]pentan-1-one
SMILESCCCC(C)(CC)C(=O)C1(C(F)(F)F)CCC1
InChIInChI=1S/C13H21F3O/c1-4-7-11(3,5-2)10(17)12(8-6-9-12)13(14,15)16/h4-9H2,1-3H3
InChIKeyKHVJWAIYPXXLJJ-UHFFFAOYSA-N
MW250.30 g/mol
LogP4.50
Rot. Bonds5

About 2-ethyl-2-methyl-1-[1-(trifluoromethyl)cyclobutyl]pentan-1-one

2-ethyl-2-methyl-1-[1-(trifluoromethyl)cyclobutyl]pentan-1-one (PubChem CID 129313850) has the molecular formula C13H21F3O and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-ethyl-2-methyl-1-[1-(trifluoromethyl)cyclobutyl]pentan-1-one.

Molecular Properties

Compound Name2-ethyl-2-methyl-1-[1-(trifluoromethyl)cyclobutyl]pentan-1-one
PubChem CID129313850
Molecular FormulaC13H21F3O
Molecular Weight250.30 g/mol
Exact Mass250.15
IUPAC Name2-ethyl-2-methyl-1-[1-(trifluoromethyl)cyclobutyl]pentan-1-one
SMILESCCCC(C)(CC)C(=O)C1(C(F)(F)F)CCC1
InChIInChI=1S/C13H21F3O/c1-4-7-11(3,5-2)10(17)12(8-6-9-12)13(14,15)16/h4-9H2,1-3H3
InChIKeyKHVJWAIYPXXLJJ-UHFFFAOYSA-N
XLogP4.50
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-2-ethyl-2-methylpentanoate
CID 86306121
2-ethyl-2-methylpentanamide
CID 22376566
1-(2-fluoropropan-2-yl)cyclobutane-1-carboxylic acid
CID 83815694
2,2,2-trifluoroethyl 2-ethyl-2-methylpentanoate
CID 139362815
(1-methylcyclopentyl) 2-ethyl-2,4,4-trimethylpentanoate
CID 144560389
N-(2-hydroxy-2-methylpentyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 106292003
3-fluoro-3-methylhexan-2-one
CID 157210993
1-[1-(1,1-difluoroethyl)cyclobutyl]-2-methylpropan-1-one
CID 155710323
1-(1,1-difluoroethyl)cyclopentane-1-carboxylic acid
CID 84767538
1-(2-methylbutan-2-yl)cyclohexane-1-carbonyl chloride
CID 54373319
2-fluoro-2-methylpentanamide
CID 134346431
1-(1-tert-butylcyclobutyl)ethanone
CID 58530463

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-methyl-1-[1-(trifluoromethyl)cyclobutyl]pentan-1-one?
The IUPAC name of 2-ethyl-2-methyl-1-[1-(trifluoromethyl)cyclobutyl]pentan-1-one (CID 129313850) is 2-ethyl-2-methyl-1-[1-(trifluoromethyl)cyclobutyl]pentan-1-one.
What is the SMILES notation for 2-ethyl-2-methyl-1-[1-(trifluoromethyl)cyclobutyl]pentan-1-one?
The canonical SMILES for 2-ethyl-2-methyl-1-[1-(trifluoromethyl)cyclobutyl]pentan-1-one is CCCC(C)(CC)C(=O)C1(C(F)(F)F)CCC1.
What is the InChIKey of 2-ethyl-2-methyl-1-[1-(trifluoromethyl)cyclobutyl]pentan-1-one?
The InChIKey is KHVJWAIYPXXLJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3O/c1-4-7-11(3,5-2)10(17)12(8-6-9-12)13(14,15)16/h4-9H2,1-3H3.
What are the key properties of 2-ethyl-2-methyl-1-[1-(trifluoromethyl)cyclobutyl]pentan-1-one?
2-ethyl-2-methyl-1-[1-(trifluoromethyl)cyclobutyl]pentan-1-one has a molecular weight of 250.30 g/mol, XLogP of 4.50, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-methyl-1-[1-(trifluoromethyl)cyclobutyl]pentan-1-one is sourced from PubChem (CID 129313850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).